2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid

C11H16N2O3S — CID 43630580

IUPAC2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1csc(C)n1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-4-9(11(15)16)13-10(14)5-8-6-17-7(2)12-8/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYHUDLJYWBFFQJS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.36
Rot. Bonds6

About 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid

2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid (PubChem CID 43630580) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
PubChem CID43630580
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1csc(C)n1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-3-4-9(11(15)16)13-10(14)5-8-6-17-7(2)12-8/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYHUDLJYWBFFQJS-UHFFFAOYSA-N
XLogP1.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009
(2S)-4-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 63307024
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
(2S)-2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 107144770
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 104894251
(2S)-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]hexanoic acid
CID 107144606
(2S)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106038811
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid (CID 43630580) is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cc1csc(C)n1)C(=O)O.
What is the InChIKey of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
The InChIKey is YHUDLJYWBFFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-4-9(11(15)16)13-10(14)5-8-6-17-7(2)12-8/h6,9H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid?
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).